N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine

C20H34N2 — CID 142160698

IUPACN'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine
SMILESC/C=C\C(CN(CCN(C)C)Cc1ccccc1)C(C)CC
InChIInChI=1S/C20H34N2/c1-6-11-20(18(3)7-2)17-22(15-14-21(4)5)16-19-12-9-8-10-13-19/h6,8-13,18,20H,7,14-17H2,1-5H3/b11-6-
InChIKeyJSPZXHWOKLDPHH-WDZFZDKYSA-N
MW302.51 g/mol
LogP4.29
Rot. Bonds10

About N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine

N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 142160698) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine
PubChem CID142160698
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine
SMILESC/C=C\C(CN(CCN(C)C)Cc1ccccc1)C(C)CC
InChIInChI=1S/C20H34N2/c1-6-11-20(18(3)7-2)17-22(15-14-21(4)5)16-19-12-9-8-10-13-19/h6,8-13,18,20H,7,14-17H2,1-5H3/b11-6-
InChIKeyJSPZXHWOKLDPHH-WDZFZDKYSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 70821309
1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
CID 13219301
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
CID 11288047
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
2-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]phenol;oxalic acid
CID 126468036
N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 131052434

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine (CID 142160698) is N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine is C/C=C\C(CN(CCN(C)C)Cc1ccccc1)C(C)CC.
What is the InChIKey of N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is JSPZXHWOKLDPHH-WDZFZDKYSA-N. The full InChI is InChI=1S/C20H34N2/c1-6-11-20(18(3)7-2)17-22(15-14-21(4)5)16-19-12-9-8-10-13-19/h6,8-13,18,20H,7,14-17H2,1-5H3/b11-6-.
What are the key properties of N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 302.51 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 142160698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).